Registro:

Referencias:

• Ebrahimi, A., Habibi Khorassani, S.M., Delarami, H., Esmaeeli, H., The Effect of CH3, F and NO2 Substituents on the Individual Hydrogen Bond Energies in the Adenine-Thymine and Guanine-Cytosine Base Pairs (2010) J. Comput.-Aided Mol. Des., 24, pp. 409-416
• Clementi, E., Mehl, J., Von Niessen, W., Study of the Electronic Structure of Molecules. XII. Hydrogen Bridges in the Guanine-Cytosine Pair and in the Dimeric Form of Formic Acid (1971) J. Chem. Phys., 54, p. 508
• Rein, R., Harris, F.E., Studies of Hydrogen-Bonded Systems. I. the Electronic Structure and the Double Well Potential of the N-H. ·n Hydrogen Bond of the Guanine-Cytosine Base Pair (1964) J. Chem. Phys., 41, p. 3393
• Löwdin, P.-O., Proton Tunneling in DNA and its Biological Implications (1963) Rev. Mod. Phys., 35, p. 724
• Vanyushin, B.F., Enzymatic DNA Methylation is an Epigenetic Control for Genetic Functions of the Cell (2005) Biochemistry (Moscow), 70, pp. 488-499
• Vanyushin, B.F., A View of an Elemental Naturalist at the DNA World (Base Composition, Sequences, Methylation) (2007) Biochemistry (Moscow), 72, pp. 1289-1298
• Forde, G., Flood, A., Salter, L., Hill, G., Gorb, L., Leszczynski, J., Theoretical ab Initio Study of the Effects of Methylation on Structure and Stability of G:C Watson-Crick Base Pair (2003) J. Biomol. Struct. Dyn., 20, pp. 811-817
• Si, X., Zhao, Y., Yang, C., Zhang, S., Zhang, X., DNA Methylation as a Potential Diagnosis Indicator for Rapid Discrimination of Rare Cancer Cells and Normal Cells (2015) Sci. Rep., 5, p. 11882
• Song, Q., Qiu, Z., Wang, H., Xia, Y., Shen, J., Zhang, Y., The Effect of Methylation on the Hydrogen-Bonding and Stacking Interaction of Nucleic Acid Bases (2013) Struct. Chem., 24, pp. 55-65
• Phillips, T., The Role of Methylation in Gene Expression (2008) Nature Education, 1, pp. 116-121
• Dantas Machado, A.C., Zhou, T., Rao, S., Goel, P., Rastogi, C., Lazarovici, A., Bussemaker, H.J., Rohs, R., Evolving Insights on How Cytosine Methylation Affects Protein-DNA Binding (2015) Briefings Funct. Genomics, 14, pp. 1-13
• Severin, P.M.D., Zou, X., Gaub, H.E., Schulten, K., Cytosine Methylation Alters DNA Mechanical Properties (2011) Nucleic Acids Res., 39, pp. 8740-8751
• Demokan, S., Dalay, N., Role of DNA Methylation in Head and Neck Cancer (2011) Clin. Epigenet., 2, pp. 123-150
• Thienpont, B., Steinbacher, J., Zhao, H., D'Anna, F., Kuchnio, A., Ploumakis, A., Ghesquière, B., Lambrechts, D., Tumour Hypoxia Causes DNA Hypermethylation by Reducing TET Activity (2016) Nature, 537, pp. 63-68
• Bergman, Y., Cedar, H., DNA Methylation Dynamics in Health and Disease (2013) Nat. Struct. Mol. Biol., 20, pp. 274-281
• Mirsaidov, U., Timp, W., Zou, X., Dimitrov, V., Schulten, K., Feinberg, A.P., Timp, G., Nanoelectromechanics of Methylated DNA in a Synthetic Nanopore (2009) Biophys. J., 96, pp. 32-34
• Moser, A., Guza, R., Tretyakova, R., York, D.M., Density Functional Study of the Influence of C5 Cytosine Substitution in Base Pairs with Guanine (2009) Theor. Chem. Acc., 122, pp. 179-188
• Yusufaly, T.I., Li, Y., Olson, W.K., 5-Methylation of Cytosine in CG:CG Base-pair Steps: A Physicochemical Mechanism for the Epigenetic Control of DNA Nanomechanics (2013) J. Phys. Chem. B, 117, pp. 16436-16442
• Flood, A., Hubbard, C., Forde, G., Hill, G., Gorb, L., Leszczynski, J., Theoretical Ab Initio Study of the Effects of Methylation on the Nature of Hydrogen Bonding in A:T Base Pair (2003) J. Biomol. Struct. Dyn., 21, pp. 297-302
• Sponer, J., Leszczynski, J., Hobza, P., Electronic Properties, Hydrogen Bonding, Stacking, and Cation Binding of DNA and RNA Bases (2001) Biopolymers, 61, pp. 3-31
• Sponer, J., Jurecka, P., Hobza, P., Accurate Interaction Energies of Hydrogen-Bonded Nucleic Acid Base Pairs (2004) J. Am. Chem. Soc., 126, pp. 10142-10151
• Smith, Q.A., Gordon, M.S., Slipchenko, L.V., Effective Fragment Potential Study of the Interaction of DNA Bases (2011) J. Phys. Chem. A, 115, pp. 11269-11276
• Giribet, C.G., Ruiz De Azúa, M.C., CLOPPA Analysis of the Molecular Polarizability and the Energy of Strong Intramolecular Hydrogen Bonds: Resonance Assisted? (2012) J. Phys. Chem. A, 116, pp. 12175-12183
• Xiao, S., Wang, L., Liu, Y., Lin, X., Liang, H., Theoretical Investigation of the Proton Transfer Mechanism in Guanine-Cytosine and Adenine-Thymine Base Pairs (2012) J. Chem. Phys., 137, pp. 195101-195108
• Sowers, L.C., Shaw, B.R., Sedwick, W.D., Base Stacking and Molecular Polarizability: Effect of a Methyl Group in the 5-Position of Pyrimidines (1987) Biochem. Biophys. Res. Commun., 148, pp. 790-794
• Giribet, C.G., Demarco, M.D., Ruiz De Azúa, M.C., Contreras, R.H., Ab-initio CLOPPA Decomposition of the Static Molecular Polarizability Tensor (1997) Mol. Phys., 91, pp. 105-112
• Botek, E.L., Giribet, C.G., Ruiz De Azúa, M.C., Negri, R.M., Bernik, D., Evaluation of the Molecular Polarizability Using the IPPP-CLOPPA-INDO/S Method. Application to Molecules of Biological Interest (2008) J. Phys. Chem. A, 112, pp. 6992-6998
• Giribet, C.G., Ruiz De Azúa, M.C., CLOPPA-IPPP Analysis of Cooperative Effects in H-bonded Molecular Complexes.2. Application to the Static Molecular Polarizability Tensor (2010) J. Phys. Chem. A, 114, pp. 1109-1117
• Ruiz De Azúa, M.C., Diz, A.C., Giribet, C.G., Contreras, R.H., Rae, I.D., A Polarization Propagator Analysis of Through-Space Spin-Spin Coupling Constants: F-F Couplings (1986) Int. J. Quantum Chem., 30, pp. 585-601
• Diz, A.C., Giribet, C.G., Ruiz De Azúa, M.C., Contreras, R.H., The Use of Localized Molecular Orbitals and the Polarization Propagator Approach to Identify Transmission Mechanisms in Nuclear Spin-Spin Couplings (1990) Int. J. Quantum Chem., 37, pp. 663-677
• Ruiz De Azúa, M.C., Giribet, C.G., Vizioli, C.V., Contreras, R.H., Ab-initio IPPP-CLOPPA Approach to Perform Bond Contribution Analysis of NMR Coupling Constants: 1J(NH) in NH3 as a Function of Pyramidality (1998) J. Mol. Struct.: THEOCHEM, 433, pp. 141-150
• Giribet, C.G., Ruiz De Azúa, M.C., Vizioli, C.V., Cavasotto, C.N., Electronic Mechanisms of Intra and Intermolecular J Couplings in Systems with C-H⋯O Interactions (2003) Int. J. Mol. Sci., 4, pp. 203-217
• Contreras, R.H., Peralta, J.E., Giribet, C.G., Ruiz De Azúa, M.C., Facelli, J.C., Advances in Theoretical and Physical Aspects of Spin-Spin Coupling Constants (2000) Annual Reports on NMR Spectroscopy, 41, pp. 57-166. , In, Elsevier Inc. London/San Diego
• Giribet, C.G., Ruiz De Azúa, M.C., CLOPPA-IPPP Analysis of Electronic Mechanisms of Intermolecular 1hJ(A,H) and 2hJ(A,D) Spin-Spin Coupling Constants in Systems with D-H⋯A Hydrogen Bonds (2005) J. Phys. Chem. A, 109, pp. 11980-11988
• Giribet, C.G., Ruiz De Azúa, M.C., The Sign and Magnitude of 2hJ(F,F) and 1hJ(F,H) in FH⋯FH. A CLOPPA Analysis of their Distance Dependence (2006) J. Phys. Chem. A, 110, pp. 11575-11583
• Giribet, C.G., Ruiz De Azúa, M.C., CLOPPA-IPPP Analysis of Cooperative Effects in H-bonded Molecular Complexes. Application to Intermolecular 2hJ(N,C) Spin-Spin Coupling Constants in Linear (CNH)n Complexes (2008) J. Phys. Chem. A, 112, pp. 4386-4393
• Jørgensen, P., Simons, J., (1981) Second Quantization Based Methods in Quantum Chemistry, , Academic Press: London
• Aidas, K., Angeli, C., Bak, K.L., Bakken, V., Bast, R., Boman, L., Christiansen, O., Ågren, H., ″the Dalton quantum chemistry program system″ (2014) WIREs Comput. Mol. Sci., 4, pp. 269-284
• Van Duijneveldt-Van De Rijdt, J.G.C.M., Van Duijneveldt, F.B., (1971) J. Am. Chem. Soc., 93, p. 5644
• Lazzeretti, P., Zanasi, R., Anisotropy of the Nuclear Spin-Spin Coupling Tensor in Water, Ammonia, and Methane Molecules (1982) J. Chem. Phys., 77, pp. 2448-2453
• Lazzeretti, P., Geometric Approximation to Nuclear Spin-Spin Coupling Constants in the Water Molecule (1979) Int. J. Quantum Chem., 15, pp. 181-196
• Lazzeretti, P., Calculation of Nuclear Spin-Spin Coupling Constants in Methanol Molecule (1979) J. Chem. Phys., 71, pp. 2514-2521
• Jørgensen, P., Simons, J., (1981) Second Quantization-based Methods in Quantum Chemistry, , Academic Press: London
• Gilli, P., Bertolasi, V., Ferretti, V., Gilli, G., Evidence for Intramolecular N-H⋯O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation (2000) J. Am. Chem. Soc., 122, pp. 10405-10417

Citas:

---------- APA ----------

---------- CHICAGO ----------

---------- MLA ----------

---------- VANCOUVER ----------